SCHEMBL4553478

SCHEMBL4553478

O=C(O)CCC(=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.63
▸ EPHX2 P34913 1/20 0.51
▸ FABP5 Q01469 3/20 0.50
▸ FABP7 O15540 2/20 0.50
▸ CASP3 P42574 3/20 0.48
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL135525 0.88 KMT2A (0.60) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL31652641 0.86 KMT2A (0.75) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL12914158 0.86 KMT2A (0.58) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL21332462 0.85 KMT2A (0.66) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL120274 0.84 KMT2A (0.61) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL12734985 0.83 KMT2A (0.66) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL178687 0.82 KMT2A (0.81) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29423575 0.82 KMT2A (0.81) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29397906 0.82 KMT2A (0.81) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL8772818 0.81 KMT2A (0.58) KMT2AEPHX2FABP5FABP7CASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754475-B1 Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS INC (US) 2009-09-16 — — EP disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 — — US disclosed
EP-1754475-A1 Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases Idun Pharmaceuticals, Inc. (US) 2007-02-21 — — EP disclosed
EP-1091930-B1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS INC (US) 2006-12-13 — — EP disclosed
US-7053056-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2006-05-30 — — US disclosed
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2005-01-27 — — US disclosed
EP-1351975-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2003-10-15 — — EP disclosed
US-6544951-B2 Antiinflammatory agents; autoimmune diseases, nervous system degradation IDUN PHARMACEUTICALS, INC. 2003-04-08 — — US disclosed
WO-2002057298-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2002-07-25 — — WO disclosed
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-04-11 — — US disclosed
US-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-03-07 — — US disclosed
EP-1091930-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-04-18 — — EP disclosed
US-6197750-B1 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS IDUN PHARMACEUTICALS, INC. 2001-03-06 — — US disclosed
WO-2000001666-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-01-13 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP KMT2A 4305/4885EPHX2 2787/4885FABP5 2597/4885
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP KMT2A 4305/4885EPHX2 2787/4885FABP5 2597/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 KMT2A 4310/4885EPHX2 2532/4885FABP5 2640/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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